(Z)-N-(cyclopropylmethyl)-2-propan-2-yliminopent-3-enamide

C12H20N2O — CID 134479731

IUPAC(Z)-N-(cyclopropylmethyl)-2-propan-2-yliminopent-3-enamide
SMILESC/C=C\C(=N/C(C)C)C(=O)NCC1CC1
InChIInChI=1S/C12H20N2O/c1-4-5-11(14-9(2)3)12(15)13-8-10-6-7-10/h4-5,9-10H,6-8H2,1-3H3,(H,13,15)/b5-4-,14-11+
InChIKeySPNNJSKTDBTLRF-UZWKOAOVSA-N
MW208.31 g/mol
LogP1.94
Rot. Bonds5

About (Z)-N-(cyclopropylmethyl)-2-propan-2-yliminopent-3-enamide

(Z)-N-(cyclopropylmethyl)-2-propan-2-yliminopent-3-enamide (PubChem CID 134479731) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (Z)-N-(cyclopropylmethyl)-2-propan-2-yliminopent-3-enamide.

Molecular Properties

Compound Name(Z)-N-(cyclopropylmethyl)-2-propan-2-yliminopent-3-enamide
PubChem CID134479731
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(Z)-N-(cyclopropylmethyl)-2-propan-2-yliminopent-3-enamide
SMILESC/C=C\C(=N/C(C)C)C(=O)NCC1CC1
InChIInChI=1S/C12H20N2O/c1-4-5-11(14-9(2)3)12(15)13-8-10-6-7-10/h4-5,9-10H,6-8H2,1-3H3,(H,13,15)/b5-4-,14-11+
InChIKeySPNNJSKTDBTLRF-UZWKOAOVSA-N
XLogP1.94
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.94
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-propan-2-yliminopent-3-enamide?
The IUPAC name of (Z)-N-(cyclopropylmethyl)-2-propan-2-yliminopent-3-enamide (CID 134479731) is (Z)-N-(cyclopropylmethyl)-2-propan-2-yliminopent-3-enamide.
What is the SMILES notation for (Z)-N-(cyclopropylmethyl)-2-propan-2-yliminopent-3-enamide?
The canonical SMILES for (Z)-N-(cyclopropylmethyl)-2-propan-2-yliminopent-3-enamide is C/C=C\C(=N/C(C)C)C(=O)NCC1CC1.
What is the InChIKey of (Z)-N-(cyclopropylmethyl)-2-propan-2-yliminopent-3-enamide?
The InChIKey is SPNNJSKTDBTLRF-UZWKOAOVSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-5-11(14-9(2)3)12(15)13-8-10-6-7-10/h4-5,9-10H,6-8H2,1-3H3,(H,13,15)/b5-4-,14-11+.
What are the key properties of (Z)-N-(cyclopropylmethyl)-2-propan-2-yliminopent-3-enamide?
(Z)-N-(cyclopropylmethyl)-2-propan-2-yliminopent-3-enamide has a molecular weight of 208.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(cyclopropylmethyl)-2-propan-2-yliminopent-3-enamide is sourced from PubChem (CID 134479731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).