N-[(3Z)-3-methyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-2-yl]formamide

C12H18N2O — CID 145092961

IUPACN-[(3Z)-3-methyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-2-yl]formamide
SMILESC=C(NC=O)/C(C)=C\C(=C)N1CCCC1
InChIInChI=1S/C12H18N2O/c1-10(12(3)13-9-15)8-11(2)14-6-4-5-7-14/h8-9H,2-7H2,1H3,(H,13,15)/b10-8-
InChIKeyAAGQRQONCHQOKW-NTMALXAHSA-N
MW206.29 g/mol
LogP1.80
Rot. Bonds5

About N-[(3Z)-3-methyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-2-yl]formamide

N-[(3Z)-3-methyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-2-yl]formamide (PubChem CID 145092961) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[(3Z)-3-methyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-2-yl]formamide.

Molecular Properties

Compound NameN-[(3Z)-3-methyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-2-yl]formamide
PubChem CID145092961
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[(3Z)-3-methyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-2-yl]formamide
SMILESC=C(NC=O)/C(C)=C\C(=C)N1CCCC1
InChIInChI=1S/C12H18N2O/c1-10(12(3)13-9-15)8-11(2)14-6-4-5-7-14/h8-9H,2-7H2,1H3,(H,13,15)/b10-8-
InChIKeyAAGQRQONCHQOKW-NTMALXAHSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3Z)-3-methyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-2-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2E,4E,6E)-7-fluoro-5-(pyrrolidin-1-ylmethyl)octa-2,4,6-trien-2-yl]formamide
CID 142246679
N-[4-(2,5-dihydropyrrol-1-yl)-6-methylcyclohexa-1,5-dien-1-yl]formamide
CID 89215095
N-[(2E,4Z)-1-pyrrolidin-1-ylhepta-2,4-dien-3-yl]formamide
CID 139317795
N-[(3E)-2,4-dimethylhexa-1,3,5-trien-3-yl]formamide;2-methylpyrrolidine
CID 145255052
N-[(Z)-2-methylidene-4-(3-methyl-5-methylidene-1-pentan-2-yl-2H-pyrrol-4-yl)but-3-enyl]formamide
CID 174249781

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-methyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-2-yl]formamide?
The IUPAC name of N-[(3Z)-3-methyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-2-yl]formamide (CID 145092961) is N-[(3Z)-3-methyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-2-yl]formamide.
What is the SMILES notation for N-[(3Z)-3-methyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-2-yl]formamide?
The canonical SMILES for N-[(3Z)-3-methyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-2-yl]formamide is C=C(NC=O)/C(C)=C\C(=C)N1CCCC1.
What is the InChIKey of N-[(3Z)-3-methyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-2-yl]formamide?
The InChIKey is AAGQRQONCHQOKW-NTMALXAHSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(12(3)13-9-15)8-11(2)14-6-4-5-7-14/h8-9H,2-7H2,1H3,(H,13,15)/b10-8-.
What are the key properties of N-[(3Z)-3-methyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-2-yl]formamide?
N-[(3Z)-3-methyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-2-yl]formamide has a molecular weight of 206.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-methyl-5-pyrrolidin-1-ylhexa-1,3,5-trien-2-yl]formamide is sourced from PubChem (CID 145092961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).