(E)-N-cyclopropyl-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enamide

C11H17NO3 — CID 52915036

IUPAC(E)-N-cyclopropyl-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enamide
SMILESO=C(/C=C/C1C[C@@H](O)[C@@H](O)C1)NC1CC1
InChIInChI=1S/C11H17NO3/c13-9-5-7(6-10(9)14)1-4-11(15)12-8-2-3-8/h1,4,7-10,13-14H,2-3,5-6H2,(H,12,15)/b4-1+/t7?,9-,10+
InChIKeyWZSWPLMJNCMAOO-QLIURYDESA-N
MW211.26 g/mol
LogP-0.05
Rot. Bonds3

About (E)-N-cyclopropyl-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enamide

(E)-N-cyclopropyl-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enamide (PubChem CID 52915036) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enamide
PubChem CID52915036
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(E)-N-cyclopropyl-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enamide
SMILESO=C(/C=C/C1C[C@@H](O)[C@@H](O)C1)NC1CC1
InChIInChI=1S/C11H17NO3/c13-9-5-7(6-10(9)14)1-4-11(15)12-8-2-3-8/h1,4,7-10,13-14H,2-3,5-6H2,(H,12,15)/b4-1+/t7?,9-,10+
InChIKeyWZSWPLMJNCMAOO-QLIURYDESA-N
XLogP-0.05
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-cyclopropyl-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enamide with MolForge

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Related Compounds

N-cyclohexyl-3-cyclopentylprop-2-enamide
CID 141179456
methyl (E)-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enoate
CID 52916605
(Z)-N,N'-dicyclohexylbut-2-enediamide
CID 139188308
(E)-N-(4-tert-butylphenyl)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enamide
CID 52915280
3-cyclohexyl-N-hydroxyprop-2-enamide
CID 71376620
(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
CID 903325
ethyl (E)-3-[(3R,4S)-3,4-dihydroxycyclopentyl]prop-2-enoate
CID 52916277
(E)-N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropylprop-2-enamide
CID 131237415
4-(but-2-enoylamino)cyclohexane-1-carboxylic acid
CID 76880809
3-methyl-N-[4-(methylamino)cyclohexyl]but-2-enamide
CID 79110593
(E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide
CID 134557623
N-(4-methylcyclohexyl)hexa-2,4-dienamide
CID 72689142

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enamide (CID 52915036) is (E)-N-cyclopropyl-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enamide is O=C(/C=C/C1C[C@@H](O)[C@@H](O)C1)NC1CC1.
What is the InChIKey of (E)-N-cyclopropyl-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enamide?
The InChIKey is WZSWPLMJNCMAOO-QLIURYDESA-N. The full InChI is InChI=1S/C11H17NO3/c13-9-5-7(6-10(9)14)1-4-11(15)12-8-2-3-8/h1,4,7-10,13-14H,2-3,5-6H2,(H,12,15)/b4-1+/t7?,9-,10+.
What are the key properties of (E)-N-cyclopropyl-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enamide?
(E)-N-cyclopropyl-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enamide has a molecular weight of 211.26 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enamide is sourced from PubChem (CID 52915036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).