1-(1-hept-6-enylpyrrolidin-2-yl)propan-2-ol

C14H27NO — CID 107011016

IUPAC1-(1-hept-6-enylpyrrolidin-2-yl)propan-2-ol
SMILESC=CCCCCCN1CCCC1CC(C)O
InChIInChI=1S/C14H27NO/c1-3-4-5-6-7-10-15-11-8-9-14(15)12-13(2)16/h3,13-14,16H,1,4-12H2,2H3
InChIKeySMDJTHXMANYVBL-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds8

About 1-(1-hept-6-enylpyrrolidin-2-yl)propan-2-ol

1-(1-hept-6-enylpyrrolidin-2-yl)propan-2-ol (PubChem CID 107011016) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(1-hept-6-enylpyrrolidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-hept-6-enylpyrrolidin-2-yl)propan-2-ol
PubChem CID107011016
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(1-hept-6-enylpyrrolidin-2-yl)propan-2-ol
SMILESC=CCCCCCN1CCCC1CC(C)O
InChIInChI=1S/C14H27NO/c1-3-4-5-6-7-10-15-11-8-9-14(15)12-13(2)16/h3,13-14,16H,1,4-12H2,2H3
InChIKeySMDJTHXMANYVBL-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 21516719
1-[Di(propan-2-yl)amino]oct-7-en-2-ol
CID 22975453
1-Pyrrolidin-1-yloct-1-en-3-ol
CID 53885696
(3S,5S)-5-prop-1-en-2-yl-1-propylpyrrolidin-3-ol
CID 57673973
1-(Dimethylamino)oct-7-en-3-ol
CID 115345967
4-(Dimethylamino)nona-7,8-dien-2-ol
CID 130178051
(3R,5S)-1,1-dimethyl-5-prop-1-en-2-ylpyrrolidin-1-ium-3-ol
CID 166473737
(5R)-5-[(E)-2-hydroxyethenyl]-1-propan-2-ylpyrrolidin-3-ol
CID 167226616
1-[(2S)-1-methylpyrrolidin-2-yl]pent-4-en-1-ol
CID 172108325
1-[(2S)-1-methylpyrrolidin-2-yl]but-3-en-1-ol
CID 172108466
(3R)-5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-ol
CID 175062457
1-[(2S)-1-tert-butylpyrrolidin-2-yl]pent-4-en-1-ol
CID 175827585

Frequently Asked Questions

What is the IUPAC name of 1-(1-hept-6-enylpyrrolidin-2-yl)propan-2-ol?
The IUPAC name of 1-(1-hept-6-enylpyrrolidin-2-yl)propan-2-ol (CID 107011016) is 1-(1-hept-6-enylpyrrolidin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-hept-6-enylpyrrolidin-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-hept-6-enylpyrrolidin-2-yl)propan-2-ol is C=CCCCCCN1CCCC1CC(C)O.
What is the InChIKey of 1-(1-hept-6-enylpyrrolidin-2-yl)propan-2-ol?
The InChIKey is SMDJTHXMANYVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-5-6-7-10-15-11-8-9-14(15)12-13(2)16/h3,13-14,16H,1,4-12H2,2H3.
What are the key properties of 1-(1-hept-6-enylpyrrolidin-2-yl)propan-2-ol?
1-(1-hept-6-enylpyrrolidin-2-yl)propan-2-ol has a molecular weight of 225.38 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hept-6-enylpyrrolidin-2-yl)propan-2-ol is sourced from PubChem (CID 107011016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).