(E)-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylhex-4-enamide

C14H25NO — CID 21366374

IUPAC(E)-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylhex-4-enamide
SMILESC/C=C/CC(CC1CC1C)C(=O)NC(C)C
InChIInChI=1S/C14H25NO/c1-5-6-7-12(9-13-8-11(13)4)14(16)15-10(2)3/h5-6,10-13H,7-9H2,1-4H3,(H,15,16)/b6-5+
InChIKeyVDVCBIPHINSRNS-AATRIKPKSA-N
MW223.36 g/mol
LogP3.14
Rot. Bonds6

About (E)-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylhex-4-enamide

(E)-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylhex-4-enamide (PubChem CID 21366374) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (E)-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylhex-4-enamide.

Molecular Properties

Compound Name(E)-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylhex-4-enamide
PubChem CID21366374
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(E)-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylhex-4-enamide
SMILESC/C=C/CC(CC1CC1C)C(=O)NC(C)C
InChIInChI=1S/C14H25NO/c1-5-6-7-12(9-13-8-11(13)4)14(16)15-10(2)3/h5-6,10-13H,7-9H2,1-4H3,(H,15,16)/b6-5+
InChIKeyVDVCBIPHINSRNS-AATRIKPKSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylhex-4-enamide?
The IUPAC name of (E)-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylhex-4-enamide (CID 21366374) is (E)-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylhex-4-enamide.
What is the SMILES notation for (E)-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylhex-4-enamide?
The canonical SMILES for (E)-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylhex-4-enamide is C/C=C/CC(CC1CC1C)C(=O)NC(C)C.
What is the InChIKey of (E)-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylhex-4-enamide?
The InChIKey is VDVCBIPHINSRNS-AATRIKPKSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-6-7-12(9-13-8-11(13)4)14(16)15-10(2)3/h5-6,10-13H,7-9H2,1-4H3,(H,15,16)/b6-5+.
What are the key properties of (E)-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylhex-4-enamide?
(E)-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylhex-4-enamide has a molecular weight of 223.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylhex-4-enamide is sourced from PubChem (CID 21366374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).