N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide

C17H27NO — CID 89174574

IUPACN-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide
SMILESC=CCN(C[C@@H]1C[C@@H]1CC/C=C\CC)C(=O)C1CC1
InChIInChI=1S/C17H27NO/c1-3-5-6-7-8-15-12-16(15)13-18(11-4-2)17(19)14-9-10-14/h4-6,14-16H,2-3,7-13H2,1H3/b6-5-/t15-,16-/m0/s1
InChIKeyIDOJXJXIQURGOJ-XFCCUVRLSA-N
MW261.41 g/mol
LogP3.79
Rot. Bonds9

About N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide

N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide (PubChem CID 89174574) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide
PubChem CID89174574
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide
SMILESC=CCN(C[C@@H]1C[C@@H]1CC/C=C\CC)C(=O)C1CC1
InChIInChI=1S/C17H27NO/c1-3-5-6-7-8-15-12-16(15)13-18(11-4-2)17(19)14-9-10-14/h4-6,14-16H,2-3,7-13H2,1H3/b6-5-/t15-,16-/m0/s1
InChIKeyIDOJXJXIQURGOJ-XFCCUVRLSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide
CID 70997462
N-methyl-N-[(2-non-3-enylcyclopropyl)methyl]cyclopropanecarboxamide
CID 76600100
N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]cyclopropanecarboxamide
CID 59793373
4-(aminomethyl)-N-ethyl-N-prop-2-enylcyclohexane-1-carboxamide
CID 81489650
2-[(Z)-hex-3-enyl]cyclopropane-1-carboxylic acid
CID 67318470
2-hex-3-enylcyclopropan-1-ol
CID 123588538
N-ethyl-N-prop-2-enylpyrrolidine-3-carboxamide
CID 81490031
cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319921
N-(2-methylnona-2,6-dienyl)-N-prop-2-enylacetamide
CID 76599914
3-[bis(prop-2-enyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 73136216
4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672288
2-[(1-ethylsulfonylpiperidine-4-carbonyl)-prop-2-enylamino]acetic acid
CID 79262829

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide?
The IUPAC name of N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide (CID 89174574) is N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide.
What is the SMILES notation for N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide?
The canonical SMILES for N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide is C=CCN(C[C@@H]1C[C@@H]1CC/C=C\CC)C(=O)C1CC1.
What is the InChIKey of N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide?
The InChIKey is IDOJXJXIQURGOJ-XFCCUVRLSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-5-6-7-8-15-12-16(15)13-18(11-4-2)17(19)14-9-10-14/h4-6,14-16H,2-3,7-13H2,1H3/b6-5-/t15-,16-/m0/s1.
What are the key properties of N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide?
N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide has a molecular weight of 261.41 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S)-2-[(Z)-hex-3-enyl]cyclopropyl]methyl]-N-prop-2-enylcyclopropanecarboxamide is sourced from PubChem (CID 89174574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).