(2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide

C15H22N2O2 — CID 51583259

IUPAC(2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide
SMILESC=CCNC(=O)[C@H]1C=CCN1C(=O)C1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-2-10-16-14(18)13-9-6-11-17(13)15(19)12-7-4-3-5-8-12/h2,6,9,12-13H,1,3-5,7-8,10-11H2,(H,16,18)/t13-/m1/s1
InChIKeyTVCMKCRPMQZZOD-CYBMUJFWSA-N
MW262.35 g/mol
LogP1.64
Rot. Bonds4

About (2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide

(2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide (PubChem CID 51583259) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide
PubChem CID51583259
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide
SMILESC=CCNC(=O)[C@H]1C=CCN1C(=O)C1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-2-10-16-14(18)13-9-6-11-17(13)15(19)12-7-4-3-5-8-12/h2,6,9,12-13H,1,3-5,7-8,10-11H2,(H,16,18)/t13-/m1/s1
InChIKeyTVCMKCRPMQZZOD-CYBMUJFWSA-N
XLogP1.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2'-(cyclohex-2''-enyl)acetyl)acetimide
CID 44254610
(2R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73352938
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73356020
(2S)-2-amino-N-[(2S)-1-[[(2S,6S)-2-cyclohexyl-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]amino]-1-oxopropan-2-yl]propanamide
CID 122184829
(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide
CID 75529643
N-[(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl]-N-{[(2S)-5-oxopyrrolidin-2-yl]methyl}cyclohexanecarboxamide
CID 56701806
N-[(2R)-2-cyclohexyl-2-(cyclopent-3-ene-1-carbonylamino)ethyl]cyclopent-3-ene-1-carboxamide
CID 95635350
(2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 164642181
N-(2-aminoacetyl)-2-cyclohex-2-en-1-ylacetamide
CID 163040484
(2R)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide
CID 92548251
N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopent-2-en-1-ylacetamide
CID 18153592
N-[2-(1-but-3-en-1-yl-1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexanecarboxamide
CID 50963980

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of (2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide (CID 51583259) is (2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for (2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for (2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide is C=CCNC(=O)[C@H]1C=CCN1C(=O)C1CCCCC1.
What is the InChIKey of (2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is TVCMKCRPMQZZOD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-10-16-14(18)13-9-6-11-17(13)15(19)12-7-4-3-5-8-12/h2,6,9,12-13H,1,3-5,7-8,10-11H2,(H,16,18)/t13-/m1/s1.
What are the key properties of (2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide?
(2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 51583259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).