[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone

C15H21N3O2 — CID 131684230

IUPAC[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CC2COCC(C1)N2CC1CC1
InChIInChI=1S/C15H21N3O2/c19-15(12-3-4-16-5-12)17-7-13-9-20-10-14(8-17)18(13)6-11-1-2-11/h3-5,11,13-14,16H,1-2,6-10H2
InChIKeyYJOQLPCECQOXAB-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.95
Rot. Bonds3

About [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone

[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 131684230) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID131684230
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CC2COCC(C1)N2CC1CC1
InChIInChI=1S/C15H21N3O2/c19-15(12-3-4-16-5-12)17-7-13-9-20-10-14(8-17)18(13)6-11-1-2-11/h3-5,11,13-14,16H,1-2,6-10H2
InChIKeyYJOQLPCECQOXAB-UHFFFAOYSA-N
XLogP0.95
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone (CID 131684230) is [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone is O=C(c1cc[nH]c1)N1CC2COCC(C1)N2CC1CC1.
What is the InChIKey of [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is YJOQLPCECQOXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15(12-3-4-16-5-12)17-7-13-9-20-10-14(8-17)18(13)6-11-1-2-11/h3-5,11,13-14,16H,1-2,6-10H2.
What are the key properties of [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone?
[9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(cyclopropylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 131684230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).