N-[(1S,2S)-2-butylcyclopentyl]-3-methylbut-2-enamide

C14H25NO — CID 95244402

IUPACN-[(1S,2S)-2-butylcyclopentyl]-3-methylbut-2-enamide
SMILESCCCC[C@H]1CCC[C@@H]1NC(=O)C=C(C)C
InChIInChI=1S/C14H25NO/c1-4-5-7-12-8-6-9-13(12)15-14(16)10-11(2)3/h10,12-13H,4-9H2,1-3H3,(H,15,16)/t12-,13-/m0/s1
InChIKeyZTGSKHYTHZIEKZ-STQMWFEESA-N
MW223.36 g/mol
LogP3.43
Rot. Bonds5

About N-[(1S,2S)-2-butylcyclopentyl]-3-methylbut-2-enamide

N-[(1S,2S)-2-butylcyclopentyl]-3-methylbut-2-enamide (PubChem CID 95244402) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(1S,2S)-2-butylcyclopentyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-butylcyclopentyl]-3-methylbut-2-enamide
PubChem CID95244402
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(1S,2S)-2-butylcyclopentyl]-3-methylbut-2-enamide
SMILESCCCC[C@H]1CCC[C@@H]1NC(=O)C=C(C)C
InChIInChI=1S/C14H25NO/c1-4-5-7-12-8-6-9-13(12)15-14(16)10-11(2)3/h10,12-13H,4-9H2,1-3H3,(H,15,16)/t12-,13-/m0/s1
InChIKeyZTGSKHYTHZIEKZ-STQMWFEESA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-butylcyclopentyl)carbamic acid
CID 142463044
3-[(1R,2S)-2-butylcyclopentyl]-1-ethyl-1-methylurea
CID 95338254
2-(3-methylbut-2-enoylamino)cyclopentane-1-carboxylic acid
CID 64812260
N-(2-butylcyclopentyl)piperidine-4-carboxamide;hydrochloride
CID 119316653
N-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
N-(2-aminocyclopropyl)-3-methylbut-2-enamide
CID 43593908
2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122000564
N-[1-[(2-butylcyclopentyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014490
[(1R,2R)-2-heptylcyclopentyl]hydrazine
CID 124537502
N-[2-(hydroxymethyl)cyclopentyl]nonanamide
CID 103774038
N-(2-ethylcyclopentyl)acetamide
CID 130891213
2-butyl-N-methylcyclohexan-1-amine;propan-1-ol
CID 71071796

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-butylcyclopentyl]-3-methylbut-2-enamide?
The IUPAC name of N-[(1S,2S)-2-butylcyclopentyl]-3-methylbut-2-enamide (CID 95244402) is N-[(1S,2S)-2-butylcyclopentyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[(1S,2S)-2-butylcyclopentyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[(1S,2S)-2-butylcyclopentyl]-3-methylbut-2-enamide is CCCC[C@H]1CCC[C@@H]1NC(=O)C=C(C)C.
What is the InChIKey of N-[(1S,2S)-2-butylcyclopentyl]-3-methylbut-2-enamide?
The InChIKey is ZTGSKHYTHZIEKZ-STQMWFEESA-N. The full InChI is InChI=1S/C14H25NO/c1-4-5-7-12-8-6-9-13(12)15-14(16)10-11(2)3/h10,12-13H,4-9H2,1-3H3,(H,15,16)/t12-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-butylcyclopentyl]-3-methylbut-2-enamide?
N-[(1S,2S)-2-butylcyclopentyl]-3-methylbut-2-enamide has a molecular weight of 223.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-butylcyclopentyl]-3-methylbut-2-enamide is sourced from PubChem (CID 95244402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).