1-methyl-3-[(Z)-2-methylpent-4-enylideneamino]urea

C8H15N3O — CID 90884061

IUPAC1-methyl-3-[(Z)-2-methylpent-4-enylideneamino]urea
SMILESC=CCC(C)/C=N\NC(=O)NC
InChIInChI=1S/C8H15N3O/c1-4-5-7(2)6-10-11-8(12)9-3/h4,6-7H,1,5H2,2-3H3,(H2,9,11,12)/b10-6-
InChIKeySCJRFMOKTIGXJY-POHAHGRESA-N
MW169.23 g/mol
LogP1.11
Rot. Bonds4

About 1-methyl-3-[(Z)-2-methylpent-4-enylideneamino]urea

1-methyl-3-[(Z)-2-methylpent-4-enylideneamino]urea (PubChem CID 90884061) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-methyl-3-[(Z)-2-methylpent-4-enylideneamino]urea.

Molecular Properties

Compound Name1-methyl-3-[(Z)-2-methylpent-4-enylideneamino]urea
PubChem CID90884061
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-methyl-3-[(Z)-2-methylpent-4-enylideneamino]urea
SMILESC=CCC(C)/C=N\NC(=O)NC
InChIInChI=1S/C8H15N3O/c1-4-5-7(2)6-10-11-8(12)9-3/h4,6-7H,1,5H2,2-3H3,(H2,9,11,12)/b10-6-
InChIKeySCJRFMOKTIGXJY-POHAHGRESA-N
XLogP1.11
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide
CID 115632114
1,3-bis(3-methylbutylideneamino)urea
CID 76727795
(2R)-2-methylpent-4-enal;(2S)-2-methylpent-4-enal
CID 159356826
4-methylhepta-2,6-dienoic acid
CID 123607563
1,3-dimethylurea;prop-1-ene
CID 160798014
N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide
CID 26864550
(3E)-5-methylocta-3,7-dienoic acid
CID 12676518
pent-4-en-2-ylcarbamic acid
CID 146626901
1-[(E)-butan-2-ylideneamino]-3-methylurea
CID 55220205
N-methyl-2-(2-oxopropyl)pent-4-enamide
CID 158794186
acetic acid;2,4-dimethylhepta-2,6-dien-1-ol
CID 71343494
N,4-dimethylhex-5-enamide
CID 155715427

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(Z)-2-methylpent-4-enylideneamino]urea?
The IUPAC name of 1-methyl-3-[(Z)-2-methylpent-4-enylideneamino]urea (CID 90884061) is 1-methyl-3-[(Z)-2-methylpent-4-enylideneamino]urea.
What is the SMILES notation for 1-methyl-3-[(Z)-2-methylpent-4-enylideneamino]urea?
The canonical SMILES for 1-methyl-3-[(Z)-2-methylpent-4-enylideneamino]urea is C=CCC(C)/C=N\NC(=O)NC.
What is the InChIKey of 1-methyl-3-[(Z)-2-methylpent-4-enylideneamino]urea?
The InChIKey is SCJRFMOKTIGXJY-POHAHGRESA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-5-7(2)6-10-11-8(12)9-3/h4,6-7H,1,5H2,2-3H3,(H2,9,11,12)/b10-6-.
What are the key properties of 1-methyl-3-[(Z)-2-methylpent-4-enylideneamino]urea?
1-methyl-3-[(Z)-2-methylpent-4-enylideneamino]urea has a molecular weight of 169.23 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(Z)-2-methylpent-4-enylideneamino]urea is sourced from PubChem (CID 90884061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).