(3-methylidenecyclohexyl)methylurea

C9H16N2O — CID 90981643

IUPAC(3-methylidenecyclohexyl)methylurea
SMILESC=C1CCCC(CNC(N)=O)C1
InChIInChI=1S/C9H16N2O/c1-7-3-2-4-8(5-7)6-11-9(10)12/h8H,1-6H2,(H3,10,11,12)
InChIKeyFDMJAVWGCKUICB-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.40
Rot. Bonds2

About (3-methylidenecyclohexyl)methylurea

(3-methylidenecyclohexyl)methylurea (PubChem CID 90981643) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (3-methylidenecyclohexyl)methylurea.

Molecular Properties

Compound Name(3-methylidenecyclohexyl)methylurea
PubChem CID90981643
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(3-methylidenecyclohexyl)methylurea
SMILESC=C1CCCC(CNC(N)=O)C1
InChIInChI=1S/C9H16N2O/c1-7-3-2-4-8(5-7)6-11-9(10)12/h8H,1-6H2,(H3,10,11,12)
InChIKeyFDMJAVWGCKUICB-UHFFFAOYSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methylurea
CID 130921204
(3-methylidenecyclohexyl)methyl 2,2-dimethylpropanoate
CID 89147948
(1-formylpiperidin-3-yl)methylurea
CID 64990728
(3-hydroxycyclobutyl)methylurea
CID 66005226
ethane;(1-phenylsulfanylpiperidin-3-yl)methylurea
CID 143812148
2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide
CID 158210571
(3-methylcyclopentyl)methylurea
CID 20542807
[1-(2-bromo-2-methylpropanoyl)piperidin-3-yl]methylurea
CID 114328264
(3R)-3-[(carbamoylamino)methyl]-N-cyclohexylpiperidine-1-carboxamide
CID 94192168
(3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide
CID 99813027
[1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea
CID 106993329
[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 81317323

Frequently Asked Questions

What is the IUPAC name of (3-methylidenecyclohexyl)methylurea?
The IUPAC name of (3-methylidenecyclohexyl)methylurea (CID 90981643) is (3-methylidenecyclohexyl)methylurea.
What is the SMILES notation for (3-methylidenecyclohexyl)methylurea?
The canonical SMILES for (3-methylidenecyclohexyl)methylurea is C=C1CCCC(CNC(N)=O)C1.
What is the InChIKey of (3-methylidenecyclohexyl)methylurea?
The InChIKey is FDMJAVWGCKUICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-3-2-4-8(5-7)6-11-9(10)12/h8H,1-6H2,(H3,10,11,12).
What are the key properties of (3-methylidenecyclohexyl)methylurea?
(3-methylidenecyclohexyl)methylurea has a molecular weight of 168.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylidenecyclohexyl)methylurea is sourced from PubChem (CID 90981643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).