cyclohex-3-en-1-yl-[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone

C18H27NO3 — CID 131649758

IUPACcyclohex-3-en-1-yl-[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCOC2CCC1C2OCC1CC1
InChIInChI=1S/C18H27NO3/c20-18(14-4-2-1-3-5-14)19-10-11-21-16-9-8-15(19)17(16)22-12-13-6-7-13/h1-2,13-17H,3-12H2
InChIKeyICCAWIOUEGFUMQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.53
Rot. Bonds4

About cyclohex-3-en-1-yl-[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone

cyclohex-3-en-1-yl-[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone (PubChem CID 131649758) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone
PubChem CID131649758
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Namecyclohex-3-en-1-yl-[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCOC2CCC1C2OCC1CC1
InChIInChI=1S/C18H27NO3/c20-18(14-4-2-1-3-5-14)19-10-11-21-16-9-8-15(19)17(16)22-12-13-6-7-13/h1-2,13-17H,3-12H2
InChIKeyICCAWIOUEGFUMQ-UHFFFAOYSA-N
XLogP2.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(cyclohex-3-en-1-yl)methanone
CID 71940632
[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyrazin-2-ylmethanone
CID 131641347
[(1S,6S,9R)-9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylpyrazin-2-yl)methanone
CID 98811994
[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone
CID 95380643
[(4aS,7S,7aR)-7-(pyridin-4-ylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-cyclohex-3-en-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155841488
oxan-4-yl-[9-(pyridin-3-ylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone
CID 131662729
[(4aS,7R,7aR)-7-(pyridin-2-ylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-cyclohex-3-en-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155847370
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(cyclopropyl)methanone
CID 52985742
cyclohex-3-en-1-yl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 55169525
[(1R,6R,9R)-9-prop-2-enoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyrazin-2-ylmethanone
CID 98811911
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40579125
(9-prop-2-enoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-pyridin-4-ylmethanone
CID 131659015

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone (CID 131649758) is cyclohex-3-en-1-yl-[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone is O=C(C1CC=CCC1)N1CCOC2CCC1C2OCC1CC1.
What is the InChIKey of cyclohex-3-en-1-yl-[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone?
The InChIKey is ICCAWIOUEGFUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c20-18(14-4-2-1-3-5-14)19-10-11-21-16-9-8-15(19)17(16)22-12-13-6-7-13/h1-2,13-17H,3-12H2.
What are the key properties of cyclohex-3-en-1-yl-[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone?
cyclohex-3-en-1-yl-[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone has a molecular weight of 305.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-[9-(cyclopropylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone is sourced from PubChem (CID 131649758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).