N-methyl-N-[(Z)-pent-3-en-2-yl]formamide

C7H13NO — CID 89174297

IUPACN-methyl-N-[(Z)-pent-3-en-2-yl]formamide
SMILESC/C=C\C(C)N(C)C=O
InChIInChI=1S/C7H13NO/c1-4-5-7(2)8(3)6-9/h4-7H,1-3H3/b5-4-
InChIKeyVCDAEUMSSCCDSS-PLNGDYQASA-N
MW127.19 g/mol
LogP1.04
Rot. Bonds3

About N-methyl-N-[(Z)-pent-3-en-2-yl]formamide

N-methyl-N-[(Z)-pent-3-en-2-yl]formamide (PubChem CID 89174297) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-methyl-N-[(Z)-pent-3-en-2-yl]formamide.

Molecular Properties

Compound NameN-methyl-N-[(Z)-pent-3-en-2-yl]formamide
PubChem CID89174297
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-methyl-N-[(Z)-pent-3-en-2-yl]formamide
SMILESC/C=C\C(C)N(C)C=O
InChIInChI=1S/C7H13NO/c1-4-5-7(2)8(3)6-9/h4-7H,1-3H3/b5-4-
InChIKeyVCDAEUMSSCCDSS-PLNGDYQASA-N
XLogP1.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-pent-3-en-2-yl]formamide?
The IUPAC name of N-methyl-N-[(Z)-pent-3-en-2-yl]formamide (CID 89174297) is N-methyl-N-[(Z)-pent-3-en-2-yl]formamide.
What is the SMILES notation for N-methyl-N-[(Z)-pent-3-en-2-yl]formamide?
The canonical SMILES for N-methyl-N-[(Z)-pent-3-en-2-yl]formamide is C/C=C\C(C)N(C)C=O.
What is the InChIKey of N-methyl-N-[(Z)-pent-3-en-2-yl]formamide?
The InChIKey is VCDAEUMSSCCDSS-PLNGDYQASA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-7(2)8(3)6-9/h4-7H,1-3H3/b5-4-.
What are the key properties of N-methyl-N-[(Z)-pent-3-en-2-yl]formamide?
N-methyl-N-[(Z)-pent-3-en-2-yl]formamide has a molecular weight of 127.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-pent-3-en-2-yl]formamide is sourced from PubChem (CID 89174297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).