N-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide

C12H17NO2 — CID 70904221

IUPACN-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide
SMILESCOC1=CCC(C(=O)NCC2CC2)C=C1
InChIInChI=1S/C12H17NO2/c1-15-11-6-4-10(5-7-11)12(14)13-8-9-2-3-9/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,13,14)
InChIKeyCWMSGDAMYAFVGP-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.62
Rot. Bonds4

About N-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide

N-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide (PubChem CID 70904221) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide
PubChem CID70904221
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide
SMILESCOC1=CCC(C(=O)NCC2CC2)C=C1
InChIInChI=1S/C12H17NO2/c1-15-11-6-4-10(5-7-11)12(14)13-8-9-2-3-9/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,13,14)
InChIKeyCWMSGDAMYAFVGP-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide (CID 70904221) is N-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide is COC1=CCC(C(=O)NCC2CC2)C=C1.
What is the InChIKey of N-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide?
The InChIKey is CWMSGDAMYAFVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-11-6-4-10(5-7-11)12(14)13-8-9-2-3-9/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,13,14).
What are the key properties of N-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide?
N-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide has a molecular weight of 207.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 70904221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).