N-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide

C11H19NO — CID 164736276

IUPACN-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide
SMILESC=CC(=O)NC1CC[C@@H](C(C)C)C1
InChIInChI=1S/C11H19NO/c1-4-11(13)12-10-6-5-9(7-10)8(2)3/h4,8-10H,1,5-7H2,2-3H3,(H,12,13)/t9-,10?/m1/s1
InChIKeyNTTFTLWAXCAVOI-YHMJZVADSA-N
MW181.28 g/mol
LogP2.11
Rot. Bonds3

About N-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide

N-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide (PubChem CID 164736276) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide
PubChem CID164736276
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide
SMILESC=CC(=O)NC1CC[C@@H](C(C)C)C1
InChIInChI=1S/C11H19NO/c1-4-11(13)12-10-6-5-9(7-10)8(2)3/h4,8-10H,1,5-7H2,2-3H3,(H,12,13)/t9-,10?/m1/s1
InChIKeyNTTFTLWAXCAVOI-YHMJZVADSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide?
The IUPAC name of N-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide (CID 164736276) is N-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide.
What is the SMILES notation for N-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide?
The canonical SMILES for N-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide is C=CC(=O)NC1CC[C@@H](C(C)C)C1.
What is the InChIKey of N-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide?
The InChIKey is NTTFTLWAXCAVOI-YHMJZVADSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-11(13)12-10-6-5-9(7-10)8(2)3/h4,8-10H,1,5-7H2,2-3H3,(H,12,13)/t9-,10?/m1/s1.
What are the key properties of N-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide?
N-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-propan-2-ylcyclopentyl]prop-2-enamide is sourced from PubChem (CID 164736276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).