(2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide

C9H16N2O — CID 79013984

IUPAC(2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide
SMILESC[C@@H](N)C(=O)NC1CC=CCC1
InChIInChI=1S/C9H16N2O/c1-7(10)9(12)11-8-5-3-2-4-6-8/h2-3,7-8H,4-6,10H2,1H3,(H,11,12)/t7-,8?/m1/s1
InChIKeyYDRSGLIIAQFWJR-GVHYBUMESA-N
MW168.24 g/mol
LogP0.56
Rot. Bonds2

About (2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide

(2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide (PubChem CID 79013984) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide
PubChem CID79013984
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide
SMILESC[C@@H](N)C(=O)NC1CC=CCC1
InChIInChI=1S/C9H16N2O/c1-7(10)9(12)11-8-5-3-2-4-6-8/h2-3,7-8H,4-6,10H2,1H3,(H,11,12)/t7-,8?/m1/s1
InChIKeyYDRSGLIIAQFWJR-GVHYBUMESA-N
XLogP0.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.56
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

(2R)-2-amino-N-cyclopent-3-en-1-ylpropanamide
CID 104863900
(1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide
CID 97326490
2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide
CID 106591567
1-cyclohex-3-en-1-yl-3-cyclopentylurea
CID 115640218
N-cyclohex-3-en-1-ylbut-2-ynamide
CID 130621125
3-[[(1R)-cyclohex-3-en-1-yl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 154872471
(2R)-2-amino-N-(thian-4-yl)propanamide
CID 103796198
(2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride
CID 130677946
2-amino-N-(3-propan-2-ylcyclohexyl)propanamide
CID 119319045
(2S)-2-amino-N-(3-hydroxycyclobutyl)propanamide
CID 79026243
2-chloro-N-cyclopent-3-en-1-ylpropanamide
CID 115879969
N-methylcyclohex-3-en-1-amine
CID 12702515

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide?
The IUPAC name of (2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide (CID 79013984) is (2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide?
The canonical SMILES for (2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide is C[C@@H](N)C(=O)NC1CC=CCC1.
What is the InChIKey of (2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide?
The InChIKey is YDRSGLIIAQFWJR-GVHYBUMESA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(10)9(12)11-8-5-3-2-4-6-8/h2-3,7-8H,4-6,10H2,1H3,(H,11,12)/t7-,8?/m1/s1.
What are the key properties of (2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide?
(2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide has a molecular weight of 168.24 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide is sourced from PubChem (CID 79013984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).