(2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride

C9H17ClN2O — CID 130677946

IUPAC(2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NC1C=CCCC1.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-7(10)9(12)11-8-5-3-2-4-6-8;/h3,5,7-8H,2,4,6,10H2,1H3,(H,11,12);1H/t7-,8?;/m1./s1
InChIKeyBWHXSDLACQNIDD-PGMKYVDRSA-N
MW204.70 g/mol
LogP0.98
Rot. Bonds2

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

(2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride (PubChem CID 130677946) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is (2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride
PubChem CID130677946
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name(2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NC1C=CCCC1.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-7(10)9(12)11-8-5-3-2-4-6-8;/h3,5,7-8H,2,4,6,10H2,1H3,(H,11,12);1H/t7-,8?;/m1./s1
InChIKeyBWHXSDLACQNIDD-PGMKYVDRSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.98
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

2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate
CID 86086396
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2-amino-N-(3-propan-2-ylcyclohexyl)propanamide
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(2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide
CID 79013984
1-cyclohept-2-en-1-yl-3-methylurea
CID 101061254
(2R)-2-amino-N-cyclopent-3-en-1-ylpropanamide
CID 104863900
2-amino-N-(2,6-dimethylcyclohexyl)propanamide
CID 86248959
(2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride
CID 130616794
(2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride
CID 131042164
benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate
CID 129365778
(2R)-2-amino-N-(thian-4-yl)propanamide
CID 103796198
2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride
CID 119285417

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride (CID 130677946) is (2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride is C[C@@H](N)C(=O)NC1C=CCCC1.Cl.
What is the InChIKey of (2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride?
The InChIKey is BWHXSDLACQNIDD-PGMKYVDRSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c1-7(10)9(12)11-8-5-3-2-4-6-8;/h3,5,7-8H,2,4,6,10H2,1H3,(H,11,12);1H/t7-,8?;/m1./s1.
What are the key properties of (2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride?
(2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 0.98, 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-2-en-1-ylpropanamide;hydrochloride is sourced from PubChem (CID 130677946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).