cyanamide;3-phenylpropan-1-ol

C10H14N2O — CID 174483450

IUPACcyanamide;3-phenylpropan-1-ol
SMILESN#CN.OCCCc1ccccc1
InChIInChI=1S/C9H12O.CH2N2/c10-8-4-7-9-5-2-1-3-6-9;2-1-3/h1-3,5-6,10H,4,7-8H2;2H2
InChIKeyVETXXCDPGQCPGC-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.04
Rot. Bonds3

About cyanamide;3-phenylpropan-1-ol

cyanamide;3-phenylpropan-1-ol (PubChem CID 174483450) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is cyanamide;3-phenylpropan-1-ol.

Molecular Properties

Compound Namecyanamide;3-phenylpropan-1-ol
PubChem CID174483450
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Namecyanamide;3-phenylpropan-1-ol
SMILESN#CN.OCCCc1ccccc1
InChIInChI=1S/C9H12O.CH2N2/c10-8-4-7-9-5-2-1-3-6-9;2-1-3/h1-3,5-6,10H,4,7-8H2;2H2
InChIKeyVETXXCDPGQCPGC-UHFFFAOYSA-N
XLogP1.04
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

isocyanic acid;3-phenylpropan-1-ol
CID 174947619
N-methylmethanamine;3-phenylpropan-1-ol
CID 174893841
1H-azepine;3-phenylpropan-1-ol
CID 174388781
4-phenylbutylbenzene
CID 141301927
benzene;ethyl acetate;3-phenylpropan-1-ol
CID 158644115
3-(4-benzylsulfanylphenyl)propan-1-ol
CID 156821984
3-bromopropylbenzene;6-phenylhexan-1-ol
CID 157464823
methane;4-phenylbutylbenzene
CID 173386802
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972
CID 159131095
CID 159131095
furan-2-carboxylic acid;3-phenylpropan-1-ol
CID 174709444

Frequently Asked Questions

What is the IUPAC name of cyanamide;3-phenylpropan-1-ol?
The IUPAC name of cyanamide;3-phenylpropan-1-ol (CID 174483450) is cyanamide;3-phenylpropan-1-ol.
What is the SMILES notation for cyanamide;3-phenylpropan-1-ol?
The canonical SMILES for cyanamide;3-phenylpropan-1-ol is N#CN.OCCCc1ccccc1.
What is the InChIKey of cyanamide;3-phenylpropan-1-ol?
The InChIKey is VETXXCDPGQCPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.CH2N2/c10-8-4-7-9-5-2-1-3-6-9;2-1-3/h1-3,5-6,10H,4,7-8H2;2H2.
What are the key properties of cyanamide;3-phenylpropan-1-ol?
cyanamide;3-phenylpropan-1-ol has a molecular weight of 178.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyanamide;3-phenylpropan-1-ol is sourced from PubChem (CID 174483450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).