(Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide

C10H16N2O — CID 134479680

IUPAC(Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide
SMILESC/C=C\C(=N/C)C(=O)NCC1CC1
InChIInChI=1S/C10H16N2O/c1-3-4-9(11-2)10(13)12-7-8-5-6-8/h3-4,8H,5-7H2,1-2H3,(H,12,13)/b4-3-,11-9+
InChIKeyCLXVNEYFNJABNU-XOXVZCPUSA-N
MW180.25 g/mol
LogP1.16
Rot. Bonds4

About (Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide

(Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide (PubChem CID 134479680) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide.

Molecular Properties

Compound Name(Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide
PubChem CID134479680
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide
SMILESC/C=C\C(=N/C)C(=O)NCC1CC1
InChIInChI=1S/C10H16N2O/c1-3-4-9(11-2)10(13)12-7-8-5-6-8/h3-4,8H,5-7H2,1-2H3,(H,12,13)/b4-3-,11-9+
InChIKeyCLXVNEYFNJABNU-XOXVZCPUSA-N
XLogP1.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide?
The IUPAC name of (Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide (CID 134479680) is (Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide.
What is the SMILES notation for (Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide?
The canonical SMILES for (Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide is C/C=C\C(=N/C)C(=O)NCC1CC1.
What is the InChIKey of (Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide?
The InChIKey is CLXVNEYFNJABNU-XOXVZCPUSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-4-9(11-2)10(13)12-7-8-5-6-8/h3-4,8H,5-7H2,1-2H3,(H,12,13)/b4-3-,11-9+.
What are the key properties of (Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide?
(Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide has a molecular weight of 180.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide is sourced from PubChem (CID 134479680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).