ethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate

C14H25NO2 — CID 58895292

IUPACethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate
SMILESCCOC(=O)NCC1CC1(C)CCC=C(C)C
InChIInChI=1S/C14H25NO2/c1-5-17-13(16)15-10-12-9-14(12,4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3,(H,15,16)
InChIKeyWHNVPEKZWYLGBD-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.51
Rot. Bonds6

About ethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate

ethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate (PubChem CID 58895292) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate
PubChem CID58895292
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate
SMILESCCOC(=O)NCC1CC1(C)CCC=C(C)C
InChIInChI=1S/C14H25NO2/c1-5-17-13(16)15-10-12-9-14(12,4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3,(H,15,16)
InChIKeyWHNVPEKZWYLGBD-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.51
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-fluoroethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
CID 58895281
Ethyl cyclohex-3-en-1-ylmethylcarbamate
CID 57485791
cyclopropylmethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
CID 58895176
propyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
CID 58895179
2-methoxyethyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
CID 58895201
butan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
CID 58895202
ethyl N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]carbamate
CID 58895210
propan-2-yl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
CID 58895224
butyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
CID 58895233
but-3-enyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
CID 58895248
2,2-dimethylpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
CID 58895257
N-[[4-(1-Methylethenyl)-1-cyclohexen-1-yl]methyl]-carbamic acid, ethyl ester
CID 58895262

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate?
The IUPAC name of ethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate (CID 58895292) is ethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate is CCOC(=O)NCC1CC1(C)CCC=C(C)C.
What is the InChIKey of ethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate?
The InChIKey is WHNVPEKZWYLGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-17-13(16)15-10-12-9-14(12,4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3,(H,15,16).
What are the key properties of ethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate?
ethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate has a molecular weight of 239.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]carbamate is sourced from PubChem (CID 58895292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).