2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide

C10H17NO — CID 115627883

IUPAC2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide
SMILESC/C=C/CCNC(=O)C1CC1C
InChIInChI=1S/C10H17NO/c1-3-4-5-6-11-10(12)9-7-8(9)2/h3-4,8-9H,5-7H2,1-2H3,(H,11,12)/b4-3+
InChIKeyNDQLMPIKTRDAJK-ONEGZZNKSA-N
MW167.25 g/mol
LogP1.72
Rot. Bonds4

About 2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide

2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide (PubChem CID 115627883) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide
PubChem CID115627883
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide
SMILESC/C=C/CCNC(=O)C1CC1C
InChIInChI=1S/C10H17NO/c1-3-4-5-6-11-10(12)9-7-8(9)2/h3-4,8-9H,5-7H2,1-2H3,(H,11,12)/b4-3+
InChIKeyNDQLMPIKTRDAJK-ONEGZZNKSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 95357811
N-(3-amino-3-oxopropyl)-2-methylcyclopropane-1-carboxamide
CID 43350590
2-methyl-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 62657204
4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 16772815
N-[(E)-pent-3-enyl]piperidine-4-carboxamide
CID 115976386
N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide
CID 24711673
N-(6-hydroxyhexyl)-2-methylcyclopropane-1-carboxamide
CID 103919117
N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 71942014
2-chloro-N-[(E)-pent-3-enyl]acetamide
CID 115879893
N-(3-cyanopropyl)-2-methylcyclopropane-1-carboxamide
CID 62667763
trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-methylcyclopropane-1-carboxamide
CID 94816215
3-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid
CID 60989213

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide (CID 115627883) is 2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide is C/C=C/CCNC(=O)C1CC1C.
What is the InChIKey of 2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide?
The InChIKey is NDQLMPIKTRDAJK-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-5-6-11-10(12)9-7-8(9)2/h3-4,8-9H,5-7H2,1-2H3,(H,11,12)/b4-3+.
What are the key properties of 2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide?
2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide has a molecular weight of 167.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115627883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).