N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide

C12H21NO2 — CID 89374191

IUPACN-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide
SMILESC=CCCC(=O)N[C@H]1CCCC[C@H]1CO
InChIInChI=1S/C12H21NO2/c1-2-3-8-12(15)13-11-7-5-4-6-10(11)9-14/h2,10-11,14H,1,3-9H2,(H,13,15)/t10-,11-/m0/s1
InChIKeyHFNWQJBQXSNPAK-QWRGUYRKSA-N
MW211.30 g/mol
LogP1.62
Rot. Bonds5

About N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide

N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide (PubChem CID 89374191) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide
PubChem CID89374191
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide
SMILESC=CCCC(=O)N[C@H]1CCCC[C@H]1CO
InChIInChI=1S/C12H21NO2/c1-2-3-8-12(15)13-11-7-5-4-6-10(11)9-14/h2,10-11,14H,1,3-9H2,(H,13,15)/t10-,11-/m0/s1
InChIKeyHFNWQJBQXSNPAK-QWRGUYRKSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide
CID 106359885
4-[[2-(hydroxymethyl)cyclohexyl]amino]-4-oxobutanoic acid
CID 106359284
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide
CID 106359880
4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide
CID 103798365
N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide
CID 106367884
5-chloro-N-[2-(hydroxymethyl)cyclopentyl]pentanamide
CID 106359865
N-[2-(hydroxymethyl)cyclopentyl]nonanamide
CID 103774038
5-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 106361473
N-[2-(hydroxymethyl)cyclohexyl]-3-piperidin-4-ylpropanamide
CID 106361419
3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide
CID 103798579
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
2-cyclohexyl-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 103751275

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide?
The IUPAC name of N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide (CID 89374191) is N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide.
What is the SMILES notation for N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide?
The canonical SMILES for N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide is C=CCCC(=O)N[C@H]1CCCC[C@H]1CO.
What is the InChIKey of N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide?
The InChIKey is HFNWQJBQXSNPAK-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-3-8-12(15)13-11-7-5-4-6-10(11)9-14/h2,10-11,14H,1,3-9H2,(H,13,15)/t10-,11-/m0/s1.
What are the key properties of N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide?
N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide has a molecular weight of 211.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]pent-4-enamide is sourced from PubChem (CID 89374191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).