N-[[(Z)-4-methylpent-2-en-3-yl]iminomethyl]formamide

C8H14N2O — CID 164561787

IUPACN-[[(Z)-4-methylpent-2-en-3-yl]iminomethyl]formamide
SMILESC/C=C(\N=C\NC=O)C(C)C
InChIInChI=1S/C8H14N2O/c1-4-8(7(2)3)10-5-9-6-11/h4-7H,1-3H3,(H,9,10,11)/b8-4-
InChIKeyNFSNTCSZTGQSJJ-YWEYNIOJSA-N
MW154.21 g/mol
LogP1.32
Rot. Bonds4

About N-[[(Z)-4-methylpent-2-en-3-yl]iminomethyl]formamide

N-[[(Z)-4-methylpent-2-en-3-yl]iminomethyl]formamide (PubChem CID 164561787) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-[[(Z)-4-methylpent-2-en-3-yl]iminomethyl]formamide.

Molecular Properties

Compound NameN-[[(Z)-4-methylpent-2-en-3-yl]iminomethyl]formamide
PubChem CID164561787
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-[[(Z)-4-methylpent-2-en-3-yl]iminomethyl]formamide
SMILESC/C=C(\N=C\NC=O)C(C)C
InChIInChI=1S/C8H14N2O/c1-4-8(7(2)3)10-5-9-6-11/h4-7H,1-3H3,(H,9,10,11)/b8-4-
InChIKeyNFSNTCSZTGQSJJ-YWEYNIOJSA-N
XLogP1.32
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(Z)-4-methylpent-2-en-3-yl]iminomethyl]formamide?
The IUPAC name of N-[[(Z)-4-methylpent-2-en-3-yl]iminomethyl]formamide (CID 164561787) is N-[[(Z)-4-methylpent-2-en-3-yl]iminomethyl]formamide.
What is the SMILES notation for N-[[(Z)-4-methylpent-2-en-3-yl]iminomethyl]formamide?
The canonical SMILES for N-[[(Z)-4-methylpent-2-en-3-yl]iminomethyl]formamide is C/C=C(\N=C\NC=O)C(C)C.
What is the InChIKey of N-[[(Z)-4-methylpent-2-en-3-yl]iminomethyl]formamide?
The InChIKey is NFSNTCSZTGQSJJ-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-8(7(2)3)10-5-9-6-11/h4-7H,1-3H3,(H,9,10,11)/b8-4-.
What are the key properties of N-[[(Z)-4-methylpent-2-en-3-yl]iminomethyl]formamide?
N-[[(Z)-4-methylpent-2-en-3-yl]iminomethyl]formamide has a molecular weight of 154.21 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-4-methylpent-2-en-3-yl]iminomethyl]formamide is sourced from PubChem (CID 164561787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).